Brand  (β version)

PDB ID: 3UAS

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Ligands
Code Name Style Show Link
0BV Phenanthren-9-ylacetaldehyde PoSSuM
CM5 5-cyclohexyl-1-pentyl-beta-D-maltoside PoSSuM
HEM Protoporphyrin ix containing Fe PoSSuM
TAM Tris(hydroxyethyl)aminomethane PoSSuM
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Structure summary

Code : 3UAS   PDBj   RCSB PDB   PDBe
Header : OXIDOREDUCTASE
Title : Cytochrome P450 2B4 covalently bound to the mechanism-based inactivator 9-ethynylphenanthrene
Release Data : 2013-01-09
Compound :
mol_id molecule chains synonym
1 Cytochrome P450 2B4 A CYPIIB4, Cytochrome P450 isozyme 2, Cytochrome P450 LM2, Cytochrome P450 type B0, Cytochrome P450 type B1
ec: 1.14.14.1
mutation: H226Y
Source :
mol_id organism_scientific organism_common expression_system
1 Oryctolagus cuniculus  (taxid:9986) European rabbit,Japanese white rabbit,domestic rabbit,rabbits Escherichia coli  (taxid:562)
gene: CYP2B4
expression_system_strain: TOPP3
expression_system_vector_type: plasmid
expression_system_plasmid: PKK
Authors : Gay, S.C., Zhang, H., Shah, M.B., Stout, C.D., Halpert, J.R., Hollenberg, P.F.
Keywords : P450, cytochrome P450 2B4, monooxygenase, oxidoreductase, membrane protein, CYP 2B4, CYP LM2
Exp. method : X-RAY DIFFRACTION ( 2.9390 Å )
Citation :

Potent Mechanism-Based Inactivation of Cytochrome P450 2B4 by 9-Ethynylphenanthrene: Implications for Allosteric Modulation of Cytochrome P450 Catalysis.

Zhang, H.,Gay, S.C.,Shah, M.  et al.
(2013)  Biochemistry  52 : 355 - 364

PubMed: 23276288
DOI: 10.1021/bi301567z

Structure of microsomal cytochrome P450 2B4 complexed with the antifungal drug bifonazole: insight into P450 conformational plasticity and membrane interaction.

Zhao, Y.,White, M.A.,Muralidhara, B.K.  et al.
(2006)  J.Biol.Chem.  281 : 5973 - 5981

PubMed: 16373351
DOI: 10.1074/jbc.M511464200

Structure of mammalian cytochrome P450 2B4 complexed with 4-(4-chlorophenyl)imidazole at 1.9-A resolution: insight into the range of P450 conformations and the coordination of redox partner binding.

Scott, E.E.,White, M.A.,He, Y.A.  et al.
(2004)  J.Biol.Chem.  279 : 27294 - 27301

PubMed: 15100217
DOI: 10.1074/jbc.M403349200

An open conformation of mammalian cytochrome P450 2B4 at 1.6-A resolution.

Scott, E.E.,He, Y.A.,Wester, M.R.  et al.
(2003)  Proc.Natl.Acad.Sci.USA  100 : 13196 - 13201

PubMed: 14563924
DOI: 10.1073/pnas.2133986100

Structural and thermodynamic consequences of 1-(4-chlorophenyl)imidazole binding to cytochrome P450 2B4.

Zhao, Y.,Sun, L.,Muralidhara, B.K.  et al.
(2007)  Biochemistry  46 : 11559 - 11567

PubMed: 17887776
DOI: 10.1021/bi7011614

Crystal structures of cytochrome P450 2B4 in complex with the inhibitor 1-biphenyl-4-methyl-1H-imidazole: ligand-induced structural response through alpha-helical repositioning.

Gay, S.C.,Sun, L.,Maekawa, K.  et al.
(2009)  Biochemistry  48 : 4762 - 4771

PubMed: 19397311
DOI: 10.1021/bi9003765

Structures of cytochrome P450 2B4 complexed with the antiplatelet drugs ticlopidine and clopidogrel .

Gay, S.C.,Roberts, A.G.,Maekawa, K.  et al.
(2010)  Biochemistry  49 : 8709 - 8720

PubMed: 20815363
DOI: 10.1021/bi100914z

Plasticity of cytochrome P450 2B4 as investigated by hydrogen-deuterium exchange mass spectrometry and X-ray crystallography.

Wilderman, P.R.,Shah, M.B.,Liu, T.  et al.
(2010)  J.Biol.Chem.  285 : 38602 - 38611

PubMed: 20880847
DOI: 10.1074/jbc.M110.180646

Structural Analysis of Mammalian Cytochrome P450 2B4 Covalently Bound to the Mechanism-Based Inactivator tert-Butylphenylacetylene: Insight into Partial Enzymatic Activity

C Gay, S.,Zhang, H.,Wilderman, P.R.  et al.
(2011)  Biochemistry  50 : 4903 - 4911

PubMed: 21510666
DOI: 10.1021/bi200482g

Reaction

Chain : A
UniProt : P00178 (CP2B4_RABIT)
Reaction: EC: Evidence:
Physiological Direction:
an organic molecule + O2 + reduced [NADPH--hemoprotein reductase] = an alcohol + H(+) + H2O + oxidized [NADPH--hemoprotein reductase] 1.14.14.1 -
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